propan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate

C9H16N2O2 — CID 10375131

IUPACpropan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate
SMILESCC(C)OC(=O)C1CCC(N)=NC1
InChIInChI=1S/C9H16N2O2/c1-6(2)13-9(12)7-3-4-8(10)11-5-7/h6-7H,3-5H2,1-2H3,(H2,10,11)
InChIKeyJPUJNTRMOXCWAJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.71
Rot. Bonds2

About propan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate

propan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate (PubChem CID 10375131) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is propan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate
PubChem CID10375131
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Namepropan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate
SMILESCC(C)OC(=O)C1CCC(N)=NC1
InChIInChI=1S/C9H16N2O2/c1-6(2)13-9(12)7-3-4-8(10)11-5-7/h6-7H,3-5H2,1-2H3,(H2,10,11)
InChIKeyJPUJNTRMOXCWAJ-UHFFFAOYSA-N
XLogP0.71
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride
CID 45259453
propan-2-yl cyclopropanecarboxylate
CID 550170
cis-dipropan-2-yl (1S,2R)-cyclohexane-1,2-dicarboxylate
CID 14849276
dipropan-2-yl 1,2,3,4-tetrahydronaphthalene-2,6-dicarboxylate
CID 139896320
propan-2-yl 2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 22450693
propan-2-yl 3,3-difluorocyclobutane-1-carboxylate
CID 131200165
propan-2-yl 4-butylcyclohexane-1-carboxylate
CID 60643355
propan-2-yl 7-oxabicyclo[4.1.0]heptane-3-carboxylate
CID 15930981
propan-2-yl (1R,5S)-6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 142358356
[1-(carbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 42970333
propan-2-yl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-5-carboxylate
CID 25094471
6-methyl-2,3,4,5-tetrahydropyridine-3-carboxamide
CID 90828488

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate?
The IUPAC name of propan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate (CID 10375131) is propan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate is CC(C)OC(=O)C1CCC(N)=NC1.
What is the InChIKey of propan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate?
The InChIKey is JPUJNTRMOXCWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6(2)13-9(12)7-3-4-8(10)11-5-7/h6-7H,3-5H2,1-2H3,(H2,10,11).
What are the key properties of propan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate?
propan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate has a molecular weight of 184.24 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate is sourced from PubChem (CID 10375131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).